Geometry & MOs

Info

ID:

323887

PubChem CID:

126676444

Reduced:

BrN5H38C44 (1)

Stoich.:

AB5C38D44 (1)

Weight, g/mol:

548.106519

ΔHf, kcal/mol:

222.57

Dipole, Da:

3.86

IP(EA), eV:

 -8.1(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)diazenyl]-4-[[1-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazol-4-yl]methyl]pyridine-2,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=C(C(=C4)CBr)N)N(C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)N

DOS

IR

Vibrations